(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol

C11H6BrClOS3 — CID 80744829

IUPAC(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1cc(Cl)c(Br)s1)c1cc2sccc2s1
InChIInChI=1S/C11H6BrClOS3/c12-11-5(13)3-8(17-11)10(14)9-4-7-6(16-9)1-2-15-7/h1-4,10,14H
InChIKeyPUQJAYSYLAHWSM-UHFFFAOYSA-N
MW365.73 g/mol
LogP5.52
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol

(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80744829) has the molecular formula C11H6BrClOS3 and a molecular weight of 365.73 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80744829
Molecular FormulaC11H6BrClOS3
Molecular Weight365.73 g/mol
Exact Mass363.85
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1cc(Cl)c(Br)s1)c1cc2sccc2s1
InChIInChI=1S/C11H6BrClOS3/c12-11-5(13)3-8(17-11)10(14)9-4-7-6(16-9)1-2-15-7/h1-4,10,14H
InChIKeyPUQJAYSYLAHWSM-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.73
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 104546249
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
CID 80532151
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745410
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 80744829) is (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol is OC(c1cc(Cl)c(Br)s1)c1cc2sccc2s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is PUQJAYSYLAHWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClOS3/c12-11-5(13)3-8(17-11)10(14)9-4-7-6(16-9)1-2-15-7/h1-4,10,14H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol?
(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 365.73 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80744829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).